CID 6165210

303103-01-7

Structural Information

Molecular Formula
C25H25N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(/C)\C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H25N5O2S/c1-4-30-24(19-11-13-22(32-3)14-12-19)28-29-25(30)33-16-23(31)27-26-17(2)20-10-9-18-7-5-6-8-21(18)15-20/h5-15H,4,16H2,1-3H3,(H,27,31)/b26-17-
InChIKey
CNKFHDOSGBGQFI-ONUIUJJFSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.17288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18016 209.3
[M+Na]+ 482.16210 223.4
[M+NH4]+ 477.20670 215.4
[M+K]+ 498.13604 214.9
[M-H]- 458.16560 215.3
[M+Na-2H]- 480.14755 218.2
[M]+ 459.17233 213.4
[M]- 459.17343 213.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.